N-[(1-ethyl-4-methoxypyrazol-5-yl)-(2-methylcyclopentyl)methyl]ethanamine

C15H27N3O — CID 107191194

IUPACN-[(1-ethyl-4-methoxypyrazol-5-yl)-(2-methylcyclopentyl)methyl]ethanamine
SMILESCCNC(c1c(OC)cnn1CC)C1CCCC1C
InChIInChI=1S/C15H27N3O/c1-5-16-14(12-9-7-8-11(12)3)15-13(19-4)10-17-18(15)6-2/h10-12,14,16H,5-9H2,1-4H3
InChIKeyLGYWBAGPLRGGJK-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.00
Rot. Bonds6

About N-[(1-ethyl-4-methoxypyrazol-5-yl)-(2-methylcyclopentyl)methyl]ethanamine

N-[(1-ethyl-4-methoxypyrazol-5-yl)-(2-methylcyclopentyl)methyl]ethanamine (PubChem CID 107191194) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[(1-ethyl-4-methoxypyrazol-5-yl)-(2-methylcyclopentyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-ethyl-4-methoxypyrazol-5-yl)-(2-methylcyclopentyl)methyl]ethanamine
PubChem CID107191194
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC NameN-[(1-ethyl-4-methoxypyrazol-5-yl)-(2-methylcyclopentyl)methyl]ethanamine
SMILESCCNC(c1c(OC)cnn1CC)C1CCCC1C
InChIInChI=1S/C15H27N3O/c1-5-16-14(12-9-7-8-11(12)3)15-13(19-4)10-17-18(15)6-2/h10-12,14,16H,5-9H2,1-4H3
InChIKeyLGYWBAGPLRGGJK-UHFFFAOYSA-N
XLogP3.00
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-ethylcyclohexyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]ethanamine
CID 114655232
N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methoxyethanamine
CID 114648667
N-[(2,6-dimethoxyphenyl)-(2-methylcyclopentyl)methyl]ethanamine
CID 107191388
4-ethoxy-N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)butan-1-amine
CID 105186607
N-[(1-ethyl-4-methoxypyrazol-5-yl)-(5-methyloxolan-2-yl)methyl]propan-1-amine
CID 105047858
[2-cyclobutyl-1-(1-ethyl-4-methoxypyrazol-5-yl)ethyl]hydrazine
CID 103170830
N-[(4,5-dimethoxy-2-methylphenyl)-(2-methylcyclopentyl)methyl]ethanamine
CID 107177620
1-(3-bicyclo[3.1.0]hexanyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylmethanamine
CID 105047693
1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 114660208
N-[(4-methoxy-1-methylpyrazol-5-yl)-(3-methyloxolan-2-yl)methyl]ethanamine
CID 105047110
N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-propoxyethanamine
CID 114649117
N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-4,4,4-trifluorobutan-1-amine
CID 114658002

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-4-methoxypyrazol-5-yl)-(2-methylcyclopentyl)methyl]ethanamine?
The IUPAC name of N-[(1-ethyl-4-methoxypyrazol-5-yl)-(2-methylcyclopentyl)methyl]ethanamine (CID 107191194) is N-[(1-ethyl-4-methoxypyrazol-5-yl)-(2-methylcyclopentyl)methyl]ethanamine.
What is the SMILES notation for N-[(1-ethyl-4-methoxypyrazol-5-yl)-(2-methylcyclopentyl)methyl]ethanamine?
The canonical SMILES for N-[(1-ethyl-4-methoxypyrazol-5-yl)-(2-methylcyclopentyl)methyl]ethanamine is CCNC(c1c(OC)cnn1CC)C1CCCC1C.
What is the InChIKey of N-[(1-ethyl-4-methoxypyrazol-5-yl)-(2-methylcyclopentyl)methyl]ethanamine?
The InChIKey is LGYWBAGPLRGGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-5-16-14(12-9-7-8-11(12)3)15-13(19-4)10-17-18(15)6-2/h10-12,14,16H,5-9H2,1-4H3.
What are the key properties of N-[(1-ethyl-4-methoxypyrazol-5-yl)-(2-methylcyclopentyl)methyl]ethanamine?
N-[(1-ethyl-4-methoxypyrazol-5-yl)-(2-methylcyclopentyl)methyl]ethanamine has a molecular weight of 265.40 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-4-methoxypyrazol-5-yl)-(2-methylcyclopentyl)methyl]ethanamine is sourced from PubChem (CID 107191194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).